5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine

C24H30N10O2 — CID 157107693

IUPAC5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N2CCOCC2)n1.Nc1cc2nc(-c3ccccc3)cn2c(N2CCOCC2)n1
InChIInChI=1S/C16H17N5O.C8H13N5O/c17-14-10-15-18-13(12-4-2-1-3-5-12)11-21(15)16(19-14)20-6-8-22-9-7-20;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h1-5,10-11H,6-9,17H2;5H,1-4H2,(H4,9,10,11,12)
InChIKeyAGMJDYJRILTVBV-UHFFFAOYSA-N
MW490.57 g/mol
LogP1.29
Rot. Bonds3

About 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine

5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine (PubChem CID 157107693) has the molecular formula C24H30N10O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine
PubChem CID157107693
Molecular FormulaC24H30N10O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine
SMILESNc1cc(N)nc(N2CCOCC2)n1.Nc1cc2nc(-c3ccccc3)cn2c(N2CCOCC2)n1
InChIInChI=1S/C16H17N5O.C8H13N5O/c17-14-10-15-18-13(12-4-2-1-3-5-12)11-21(15)16(19-14)20-6-8-22-9-7-20;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h1-5,10-11H,6-9,17H2;5H,1-4H2,(H4,9,10,11,12)
InChIKeyAGMJDYJRILTVBV-UHFFFAOYSA-N
XLogP1.29
TPSA158.97 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine (CID 157107693) is 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine is Nc1cc(N)nc(N2CCOCC2)n1.Nc1cc2nc(-c3ccccc3)cn2c(N2CCOCC2)n1.
What is the InChIKey of 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine?
The InChIKey is AGMJDYJRILTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O.C8H13N5O/c17-14-10-15-18-13(12-4-2-1-3-5-12)11-21(15)16(19-14)20-6-8-22-9-7-20;9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h1-5,10-11H,6-9,17H2;5H,1-4H2,(H4,9,10,11,12).
What are the key properties of 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine?
5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine has a molecular weight of 490.57 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-2-phenylimidazo[1,2-c]pyrimidin-7-amine;2-morpholin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 157107693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).